Density functional theory model study of size and structure effects on water dissociation by platinum nanoparticles

Size and structure effects on the homolytic water dissociation reaction mediated by Pt nanoparticles have been investigated through density functional theory calculations carried out on a series of cubooctahedral Pt(n) nanoparticles of increasing sizes (n = 13, 19, 38, 55, 79, and 140). Water adsorp...

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Veröffentlicht in:	The Journal of chemical physics 2012-07, Vol.137 (3), p.034701-034701
Hauptverfasser:	Fajín, José L C, Bruix, Albert, Cordeiro, Maria Natália D S, Gomes, José R B, Illas, Francesc
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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